1,3-bis(cyclopropylmethyl)-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-2,4-dioxopyrimidine-5-carboxamide

C30H29FN4O6 — CID 90452665

IUPAC1,3-bis(cyclopropylmethyl)-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-2,4-dioxopyrimidine-5-carboxamide
SMILESCOc1cc2nccc(Oc3ccc(NC(=O)c4cn(CC5CC5)c(=O)n(CC5CC5)c4=O)cc3F)c2cc1OC
InChIInChI=1S/C30H29FN4O6/c1-39-26-12-20-23(13-27(26)40-2)32-10-9-24(20)41-25-8-7-19(11-22(25)31)33-28(36)21-16-34(14-17-3-4-17)30(38)35(29(21)37)15-18-5-6-18/h7-13,16-18H,3-6,14-15H2,1-2H3,(H,33,36)
InChIKeyUNESMRAUYWSFEA-UHFFFAOYSA-N
MW560.58 g/mol
LogP4.58
Rot. Bonds10

About 1,3-bis(cyclopropylmethyl)-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-2,4-dioxopyrimidine-5-carboxamide

1,3-bis(cyclopropylmethyl)-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-2,4-dioxopyrimidine-5-carboxamide (PubChem CID 90452665) has the molecular formula C30H29FN4O6 and a molecular weight of 560.58 g/mol. Its IUPAC name is 1,3-bis(cyclopropylmethyl)-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-2,4-dioxopyrimidine-5-carboxamide.

Molecular Properties

Compound Name1,3-bis(cyclopropylmethyl)-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-2,4-dioxopyrimidine-5-carboxamide
PubChem CID90452665
Molecular FormulaC30H29FN4O6
Molecular Weight560.58 g/mol
Exact Mass560.21
IUPAC Name1,3-bis(cyclopropylmethyl)-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-2,4-dioxopyrimidine-5-carboxamide
SMILESCOc1cc2nccc(Oc3ccc(NC(=O)c4cn(CC5CC5)c(=O)n(CC5CC5)c4=O)cc3F)c2cc1OC
InChIInChI=1S/C30H29FN4O6/c1-39-26-12-20-23(13-27(26)40-2)32-10-9-24(20)41-25-8-7-19(11-22(25)31)33-28(36)21-16-34(14-17-3-4-17)30(38)35(29(21)37)15-18-5-6-18/h7-13,16-18H,3-6,14-15H2,1-2H3,(H,33,36)
InChIKeyUNESMRAUYWSFEA-UHFFFAOYSA-N
XLogP4.58
TPSA113.68 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500560.58
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propylpyrimidine-5-carboxamide
CID 71576420
N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-3-(4-fluorophenyl)-1-(2-methylpropyl)-2,4-dioxopyrimidine-5-carboxamide
CID 90452587
N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-2,4-dioxo-3-phenyl-1-propan-2-ylpyrimidine-5-carboxamide
CID 71576566
N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-3-(4-fluorophenyl)-1-[2-(2-fluorophenyl)ethyl]-2,4-dioxopyrimidine-5-carboxamide
CID 90452652
N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-4-ethyl-2-methyl-3,5-dioxo-1,2,4-triazine-6-carboxamide
CID 90452687
N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-4-ethoxy-1-(4-fluorophenyl)pyrazole-3-carboxamide
CID 56847425
N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-4-ethoxy-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
CID 86288903
N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-4-ethoxy-1-(4-fluoro-3-methoxyphenyl)pyrazole-3-carboxamide
CID 66611812
N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-2-methyl-3,5-dioxo-4-prop-2-enyl-1,2,4-triazine-6-carboxamide
CID 90452691
1-ethyl-N-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide
CID 90452614
N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-2-methyl-3,5-dioxo-4-pent-2-ynyl-1,2,4-triazine-6-carboxamide
CID 90452680
2-cyclohexylsulfanyl-N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]carbamoyl]acetamide
CID 22935551

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(cyclopropylmethyl)-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-2,4-dioxopyrimidine-5-carboxamide?
The IUPAC name of 1,3-bis(cyclopropylmethyl)-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-2,4-dioxopyrimidine-5-carboxamide (CID 90452665) is 1,3-bis(cyclopropylmethyl)-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-2,4-dioxopyrimidine-5-carboxamide.
What is the SMILES notation for 1,3-bis(cyclopropylmethyl)-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-2,4-dioxopyrimidine-5-carboxamide?
The canonical SMILES for 1,3-bis(cyclopropylmethyl)-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-2,4-dioxopyrimidine-5-carboxamide is COc1cc2nccc(Oc3ccc(NC(=O)c4cn(CC5CC5)c(=O)n(CC5CC5)c4=O)cc3F)c2cc1OC.
What is the InChIKey of 1,3-bis(cyclopropylmethyl)-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-2,4-dioxopyrimidine-5-carboxamide?
The InChIKey is UNESMRAUYWSFEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29FN4O6/c1-39-26-12-20-23(13-27(26)40-2)32-10-9-24(20)41-25-8-7-19(11-22(25)31)33-28(36)21-16-34(14-17-3-4-17)30(38)35(29(21)37)15-18-5-6-18/h7-13,16-18H,3-6,14-15H2,1-2H3,(H,33,36).
What are the key properties of 1,3-bis(cyclopropylmethyl)-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-2,4-dioxopyrimidine-5-carboxamide?
1,3-bis(cyclopropylmethyl)-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-2,4-dioxopyrimidine-5-carboxamide has a molecular weight of 560.58 g/mol, XLogP of 4.58, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(cyclopropylmethyl)-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-2,4-dioxopyrimidine-5-carboxamide is sourced from PubChem (CID 90452665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).